USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 172 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 135 SER OG : rot 171:sc= 1.25 USER MOD Single : A 140 HIS : no HE2:sc= -0.958 K(o=-0.27,f=-7.6!) USER MOD Single : A 143 ASN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 145 TYR OH : rot -159:sc= 1.27 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.5) USER MOD Single : A 154 MET CE :methyl -176:sc= -0.107 (180deg=-0.15) USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 135 4.140 -3.477 0.862 1.00 1.00 N ATOM 2 CA SER A 135 3.773 -2.264 0.151 1.00 1.00 C ATOM 3 C SER A 135 4.965 -1.309 0.044 1.00 1.00 C ATOM 4 O SER A 135 6.042 -1.596 0.563 1.00 1.00 O ATOM 5 CB SER A 135 2.677 -1.600 0.986 1.00 1.00 C ATOM 6 OG SER A 135 2.043 -0.534 0.285 1.00 1.00 O ATOM 0 HA SER A 135 3.443 -2.498 -0.861 1.00 1.00 H new ATOM 0 HB2 SER A 135 1.931 -2.345 1.264 1.00 1.00 H new ATOM 0 HB3 SER A 135 3.108 -1.219 1.912 1.00 1.00 H new ATOM 0 HG SER A 135 1.260 -0.231 0.790 1.00 1.00 H new ATOM 14 N ARG A 136 4.729 -0.195 -0.633 1.00 1.00 N ATOM 15 CA ARG A 136 5.808 0.720 -0.965 1.00 1.00 C ATOM 16 C ARG A 136 5.273 2.149 -1.087 1.00 1.00 C ATOM 17 O ARG A 136 4.106 2.353 -1.413 1.00 1.00 O ATOM 18 CB ARG A 136 6.483 0.323 -2.279 1.00 1.00 C ATOM 19 CG ARG A 136 5.444 0.056 -3.371 1.00 1.00 C ATOM 20 CD ARG A 136 5.120 -1.436 -3.466 1.00 1.00 C ATOM 21 NE ARG A 136 4.329 -1.704 -4.688 1.00 1.00 N ATOM 22 CZ ARG A 136 4.088 -2.931 -5.172 1.00 1.00 C ATOM 23 NH1 ARG A 136 4.381 -4.012 -4.436 1.00 1.00 N ATOM 24 NH2 ARG A 136 3.553 -3.077 -6.392 1.00 1.00 N ATOM 0 H ARG A 136 3.807 0.095 -0.960 1.00 1.00 H new ATOM 0 HA ARG A 136 6.544 0.670 -0.162 1.00 1.00 H new ATOM 0 HB2 ARG A 136 7.157 1.117 -2.600 1.00 1.00 H new ATOM 0 HB3 ARG A 136 7.091 -0.568 -2.125 1.00 1.00 H new ATOM 0 HG2 ARG A 136 4.534 0.617 -3.157 1.00 1.00 H new ATOM 0 HG3 ARG A 136 5.820 0.412 -4.330 1.00 1.00 H new ATOM 0 HD2 ARG A 136 6.042 -2.017 -3.485 1.00 1.00 H new ATOM 0 HD3 ARG A 136 4.562 -1.753 -2.585 1.00 1.00 H new ATOM 0 HE ARG A 136 3.943 -0.906 -5.193 1.00 1.00 H new ATOM 0 HH11 ARG A 136 4.788 -3.902 -3.507 1.00 1.00 H new ATOM 0 HH12 ARG A 136 4.197 -4.945 -4.805 1.00 1.00 H new ATOM 0 HH21 ARG A 136 3.329 -2.255 -6.952 1.00 1.00 H new ATOM 0 HH22 ARG A 136 3.370 -4.010 -6.760 1.00 1.00 H new ATOM 38 N PRO A 137 6.177 3.127 -0.809 1.00 1.00 N ATOM 39 CA PRO A 137 5.842 4.529 -0.988 1.00 1.00 C ATOM 40 C PRO A 137 5.837 4.905 -2.472 1.00 1.00 C ATOM 41 O PRO A 137 6.620 4.370 -3.255 1.00 1.00 O ATOM 42 CB PRO A 137 6.886 5.289 -0.186 1.00 1.00 C ATOM 43 CG PRO A 137 8.035 4.317 0.030 1.00 1.00 C ATOM 44 CD PRO A 137 7.537 2.923 -0.320 1.00 1.00 C ATOM 0 HA PRO A 137 4.838 4.770 -0.638 1.00 1.00 H new ATOM 0 HB2 PRO A 137 7.221 6.176 -0.723 1.00 1.00 H new ATOM 0 HB3 PRO A 137 6.477 5.628 0.766 1.00 1.00 H new ATOM 0 HG2 PRO A 137 8.886 4.587 -0.595 1.00 1.00 H new ATOM 0 HG3 PRO A 137 8.376 4.352 1.065 1.00 1.00 H new ATOM 0 HD2 PRO A 137 8.165 2.457 -1.079 1.00 1.00 H new ATOM 0 HD3 PRO A 137 7.551 2.267 0.551 1.00 1.00 H new ATOM 52 N LEU A 138 4.945 5.825 -2.812 1.00 1.00 N ATOM 53 CA LEU A 138 4.623 6.074 -4.207 1.00 1.00 C ATOM 54 C LEU A 138 4.252 7.548 -4.386 1.00 1.00 C ATOM 55 O LEU A 138 3.410 7.884 -5.217 1.00 1.00 O ATOM 56 CB LEU A 138 3.540 5.105 -4.688 1.00 1.00 C ATOM 57 CG LEU A 138 3.996 3.668 -4.952 1.00 1.00 C ATOM 58 CD1 LEU A 138 2.796 2.741 -5.152 1.00 1.00 C ATOM 59 CD2 LEU A 138 4.969 3.610 -6.131 1.00 1.00 C ATOM 0 H LEU A 138 4.436 6.406 -2.146 1.00 1.00 H new ATOM 0 HA LEU A 138 5.492 5.885 -4.838 1.00 1.00 H new ATOM 0 HB2 LEU A 138 2.744 5.082 -3.943 1.00 1.00 H new ATOM 0 HB3 LEU A 138 3.106 5.502 -5.606 1.00 1.00 H new ATOM 0 HG LEU A 138 4.534 3.313 -4.073 1.00 1.00 H new ATOM 0 HD11 LEU A 138 3.147 1.726 -5.338 1.00 1.00 H new ATOM 0 HD12 LEU A 138 2.175 2.752 -4.256 1.00 1.00 H new ATOM 0 HD13 LEU A 138 2.210 3.084 -6.004 1.00 1.00 H new ATOM 0 HD21 LEU A 138 5.278 2.578 -6.298 1.00 1.00 H new ATOM 0 HD22 LEU A 138 4.478 3.991 -7.027 1.00 1.00 H new ATOM 0 HD23 LEU A 138 5.845 4.220 -5.910 1.00 1.00 H new ATOM 71 N ILE A 139 4.900 8.388 -3.591 1.00 1.00 N ATOM 72 CA ILE A 139 4.252 8.966 -2.427 1.00 1.00 C ATOM 73 C ILE A 139 2.735 8.925 -2.619 1.00 1.00 C ATOM 74 O ILE A 139 2.201 9.587 -3.508 1.00 1.00 O ATOM 75 CB ILE A 139 4.800 10.368 -2.149 1.00 1.00 C ATOM 76 CG1 ILE A 139 6.299 10.439 -2.447 1.00 1.00 C ATOM 77 CG2 ILE A 139 4.477 10.810 -0.721 1.00 1.00 C ATOM 78 CD1 ILE A 139 7.085 9.500 -1.528 1.00 1.00 C ATOM 0 H ILE A 139 5.867 8.681 -3.731 1.00 1.00 H new ATOM 0 HA ILE A 139 4.476 8.379 -1.536 1.00 1.00 H new ATOM 0 HB ILE A 139 4.305 11.068 -2.821 1.00 1.00 H new ATOM 0 HG12 ILE A 139 6.480 10.171 -3.488 1.00 1.00 H new ATOM 0 HG13 ILE A 139 6.652 11.462 -2.316 1.00 1.00 H new ATOM 0 HG21 ILE A 139 4.878 11.809 -0.550 1.00 1.00 H new ATOM 0 HG22 ILE A 139 3.396 10.823 -0.580 1.00 1.00 H new ATOM 0 HG23 ILE A 139 4.927 10.113 -0.014 1.00 1.00 H new ATOM 0 HD11 ILE A 139 8.148 9.569 -1.760 1.00 1.00 H new ATOM 0 HD12 ILE A 139 6.921 9.786 -0.489 1.00 1.00 H new ATOM 0 HD13 ILE A 139 6.747 8.475 -1.680 1.00 1.00 H new ATOM 90 N HIS A 140 2.083 8.142 -1.772 1.00 1.00 N ATOM 91 CA HIS A 140 0.637 8.023 -1.824 1.00 1.00 C ATOM 92 C HIS A 140 0.029 8.583 -0.537 1.00 1.00 C ATOM 93 O HIS A 140 -0.573 7.845 0.242 1.00 1.00 O ATOM 94 CB HIS A 140 0.219 6.577 -2.096 1.00 1.00 C ATOM 95 CG HIS A 140 0.845 5.570 -1.160 1.00 1.00 C ATOM 96 ND1 HIS A 140 1.009 4.237 -1.492 1.00 1.00 N ATOM 97 CD2 HIS A 140 1.345 5.718 0.101 1.00 1.00 C ATOM 98 CE1 HIS A 140 1.581 3.619 -0.470 1.00 1.00 C ATOM 99 NE2 HIS A 140 1.790 4.537 0.516 1.00 1.00 N ATOM 0 H HIS A 140 2.531 7.583 -1.045 1.00 1.00 H new ATOM 0 HA HIS A 140 0.251 8.614 -2.655 1.00 1.00 H new ATOM 0 HB2 HIS A 140 -0.866 6.503 -2.020 1.00 1.00 H new ATOM 0 HB3 HIS A 140 0.485 6.319 -3.121 1.00 1.00 H new ATOM 0 HD1 HIS A 140 0.736 3.804 -2.374 1.00 1.00 H new ATOM 0 HD2 HIS A 140 1.374 6.638 0.665 1.00 1.00 H new ATOM 0 HE1 HIS A 140 1.837 2.571 -0.425 1.00 1.00 H new ATOM 108 N PHE A 141 0.205 9.884 -0.354 1.00 1.00 N ATOM 109 CA PHE A 141 -0.474 10.588 0.721 1.00 1.00 C ATOM 110 C PHE A 141 -1.867 10.004 0.963 1.00 1.00 C ATOM 111 O PHE A 141 -2.663 9.879 0.034 1.00 1.00 O ATOM 112 CB PHE A 141 -0.614 12.046 0.282 1.00 1.00 C ATOM 113 CG PHE A 141 0.591 12.921 0.633 1.00 1.00 C ATOM 114 CD1 PHE A 141 1.797 12.347 0.884 1.00 1.00 C ATOM 115 CD2 PHE A 141 0.454 14.273 0.697 1.00 1.00 C ATOM 116 CE1 PHE A 141 2.916 13.159 1.211 1.00 1.00 C ATOM 117 CE2 PHE A 141 1.572 15.084 1.024 1.00 1.00 C ATOM 118 CZ PHE A 141 2.779 14.511 1.274 1.00 1.00 C ATOM 0 H PHE A 141 0.808 10.469 -0.932 1.00 1.00 H new ATOM 0 HA PHE A 141 0.096 10.495 1.646 1.00 1.00 H new ATOM 0 HB2 PHE A 141 -0.770 12.076 -0.796 1.00 1.00 H new ATOM 0 HB3 PHE A 141 -1.505 12.470 0.745 1.00 1.00 H new ATOM 0 HD1 PHE A 141 1.905 11.274 0.835 1.00 1.00 H new ATOM 0 HD2 PHE A 141 -0.505 14.729 0.499 1.00 1.00 H new ATOM 0 HE1 PHE A 141 3.875 12.703 1.409 1.00 1.00 H new ATOM 0 HE2 PHE A 141 1.464 16.157 1.074 1.00 1.00 H new ATOM 0 HZ PHE A 141 3.629 15.129 1.523 1.00 1.00 H new ATOM 128 N GLY A 142 -2.120 9.662 2.218 1.00 1.00 N ATOM 129 CA GLY A 142 -1.050 9.252 3.112 1.00 1.00 C ATOM 130 C GLY A 142 -1.527 8.160 4.072 1.00 1.00 C ATOM 131 O GLY A 142 -1.422 8.308 5.289 1.00 1.00 O ATOM 0 H GLY A 142 -3.050 9.660 2.637 1.00 1.00 H new ATOM 0 HA2 GLY A 142 -0.205 8.886 2.529 1.00 1.00 H new ATOM 0 HA3 GLY A 142 -0.696 10.112 3.680 1.00 1.00 H new ATOM 135 N ASN A 143 -2.039 7.085 3.489 1.00 1.00 N ATOM 136 CA ASN A 143 -2.789 6.104 4.254 1.00 1.00 C ATOM 137 C ASN A 143 -2.541 4.712 3.670 1.00 1.00 C ATOM 138 O ASN A 143 -3.035 3.717 4.200 1.00 1.00 O ATOM 139 CB ASN A 143 -4.292 6.385 4.187 1.00 1.00 C ATOM 140 CG ASN A 143 -4.954 6.154 5.547 1.00 1.00 C ATOM 141 OD1 ASN A 143 -5.514 7.051 6.153 1.00 1.00 O ATOM 142 ND2 ASN A 143 -4.858 4.904 5.989 1.00 1.00 N ATOM 0 H ASN A 143 -1.949 6.873 2.495 1.00 1.00 H new ATOM 0 HA ASN A 143 -2.458 6.160 5.291 1.00 1.00 H new ATOM 0 HB2 ASN A 143 -4.459 7.413 3.867 1.00 1.00 H new ATOM 0 HB3 ASN A 143 -4.753 5.740 3.440 1.00 1.00 H new ATOM 0 HD21 ASN A 143 -5.268 4.648 6.887 1.00 1.00 H new ATOM 0 HD22 ASN A 143 -4.374 4.201 5.430 1.00 1.00 H new ATOM 149 N ASP A 144 -1.778 4.685 2.588 1.00 1.00 N ATOM 150 CA ASP A 144 -1.340 3.426 2.012 1.00 1.00 C ATOM 151 C ASP A 144 -2.561 2.554 1.714 1.00 1.00 C ATOM 152 O ASP A 144 -2.598 1.383 2.089 1.00 1.00 O ATOM 153 CB ASP A 144 -0.438 2.661 2.983 1.00 1.00 C ATOM 154 CG ASP A 144 0.777 1.986 2.342 1.00 1.00 C ATOM 155 OD1 ASP A 144 0.593 0.866 1.816 1.00 1.00 O ATOM 156 OD2 ASP A 144 1.861 2.604 2.392 1.00 1.00 O ATOM 0 H ASP A 144 -1.452 5.516 2.095 1.00 1.00 H new ATOM 0 HA ASP A 144 -0.784 3.647 1.101 1.00 1.00 H new ATOM 0 HB2 ASP A 144 -0.088 3.351 3.751 1.00 1.00 H new ATOM 0 HB3 ASP A 144 -1.034 1.900 3.486 1.00 1.00 H new ATOM 161 N TYR A 145 -3.530 3.158 1.042 1.00 1.00 N ATOM 162 CA TYR A 145 -4.769 2.466 0.731 1.00 1.00 C ATOM 163 C TYR A 145 -4.548 1.403 -0.347 1.00 1.00 C ATOM 164 O TYR A 145 -5.442 0.608 -0.632 1.00 1.00 O ATOM 165 CB TYR A 145 -5.724 3.532 0.192 1.00 1.00 C ATOM 166 CG TYR A 145 -5.021 4.760 -0.390 1.00 1.00 C ATOM 167 CD1 TYR A 145 -4.447 4.698 -1.643 1.00 1.00 C ATOM 168 CD2 TYR A 145 -4.961 5.931 0.340 1.00 1.00 C ATOM 169 CE1 TYR A 145 -3.784 5.854 -2.189 1.00 1.00 C ATOM 170 CE2 TYR A 145 -4.299 7.087 -0.207 1.00 1.00 C ATOM 171 CZ TYR A 145 -3.744 6.991 -1.444 1.00 1.00 C ATOM 172 OH TYR A 145 -3.118 8.083 -1.960 1.00 1.00 O ATOM 0 H TYR A 145 -3.482 4.119 0.704 1.00 1.00 H new ATOM 0 HA TYR A 145 -5.160 1.964 1.616 1.00 1.00 H new ATOM 0 HB2 TYR A 145 -6.352 3.086 -0.579 1.00 1.00 H new ATOM 0 HB3 TYR A 145 -6.386 3.852 0.996 1.00 1.00 H new ATOM 0 HD1 TYR A 145 -4.495 3.783 -2.214 1.00 1.00 H new ATOM 0 HD2 TYR A 145 -5.410 5.980 1.321 1.00 1.00 H new ATOM 0 HE1 TYR A 145 -3.329 5.819 -3.168 1.00 1.00 H new ATOM 0 HE2 TYR A 145 -4.245 8.009 0.353 1.00 1.00 H new ATOM 0 HH TYR A 145 -2.867 8.690 -1.233 1.00 1.00 H new ATOM 182 N GLU A 146 -3.352 1.424 -0.916 1.00 1.00 N ATOM 183 CA GLU A 146 -2.964 0.408 -1.880 1.00 1.00 C ATOM 184 C GLU A 146 -2.562 -0.881 -1.161 1.00 1.00 C ATOM 185 O GLU A 146 -2.001 -1.789 -1.773 1.00 1.00 O ATOM 186 CB GLU A 146 -1.833 0.910 -2.780 1.00 1.00 C ATOM 187 CG GLU A 146 -2.185 2.264 -3.399 1.00 1.00 C ATOM 188 CD GLU A 146 -1.048 2.773 -4.288 1.00 1.00 C ATOM 189 OE1 GLU A 146 -0.132 3.414 -3.728 1.00 1.00 O ATOM 190 OE2 GLU A 146 -1.120 2.509 -5.507 1.00 1.00 O ATOM 0 H GLU A 146 -2.639 2.128 -0.728 1.00 1.00 H new ATOM 0 HA GLU A 146 -3.822 0.193 -2.517 1.00 1.00 H new ATOM 0 HB2 GLU A 146 -0.914 0.999 -2.200 1.00 1.00 H new ATOM 0 HB3 GLU A 146 -1.642 0.184 -3.570 1.00 1.00 H new ATOM 0 HG2 GLU A 146 -3.098 2.173 -3.987 1.00 1.00 H new ATOM 0 HG3 GLU A 146 -2.386 2.988 -2.609 1.00 1.00 H new ATOM 197 N ASP A 147 -2.863 -0.920 0.129 1.00 1.00 N ATOM 198 CA ASP A 147 -2.815 -2.168 0.872 1.00 1.00 C ATOM 199 C ASP A 147 -3.554 -3.252 0.085 1.00 1.00 C ATOM 200 O ASP A 147 -3.133 -4.409 0.070 1.00 1.00 O ATOM 201 CB ASP A 147 -3.496 -2.024 2.234 1.00 1.00 C ATOM 202 CG ASP A 147 -4.057 -3.323 2.817 1.00 1.00 C ATOM 203 OD1 ASP A 147 -3.251 -4.075 3.406 1.00 1.00 O ATOM 204 OD2 ASP A 147 -5.278 -3.535 2.657 1.00 1.00 O ATOM 0 H ASP A 147 -3.141 -0.107 0.679 1.00 1.00 H new ATOM 0 HA ASP A 147 -1.768 -2.434 1.019 1.00 1.00 H new ATOM 0 HB2 ASP A 147 -2.778 -1.607 2.940 1.00 1.00 H new ATOM 0 HB3 ASP A 147 -4.309 -1.304 2.143 1.00 1.00 H new ATOM 209 N ARG A 148 -4.642 -2.842 -0.549 1.00 1.00 N ATOM 210 CA ARG A 148 -5.537 -3.789 -1.189 1.00 1.00 C ATOM 211 C ARG A 148 -4.802 -4.548 -2.296 1.00 1.00 C ATOM 212 O ARG A 148 -5.283 -5.573 -2.776 1.00 1.00 O ATOM 213 CB ARG A 148 -6.753 -3.079 -1.789 1.00 1.00 C ATOM 214 CG ARG A 148 -7.568 -2.377 -0.702 1.00 1.00 C ATOM 215 CD ARG A 148 -8.413 -3.381 0.086 1.00 1.00 C ATOM 216 NE ARG A 148 -7.666 -3.848 1.275 1.00 1.00 N ATOM 217 CZ ARG A 148 -8.100 -4.803 2.108 1.00 1.00 C ATOM 218 NH1 ARG A 148 -9.273 -5.410 1.879 1.00 1.00 N ATOM 219 NH2 ARG A 148 -7.363 -5.151 3.172 1.00 1.00 N ATOM 0 H ARG A 148 -4.924 -1.865 -0.633 1.00 1.00 H new ATOM 0 HA ARG A 148 -5.879 -4.490 -0.427 1.00 1.00 H new ATOM 0 HB2 ARG A 148 -6.424 -2.350 -2.530 1.00 1.00 H new ATOM 0 HB3 ARG A 148 -7.381 -3.802 -2.310 1.00 1.00 H new ATOM 0 HG2 ARG A 148 -6.897 -1.849 -0.024 1.00 1.00 H new ATOM 0 HG3 ARG A 148 -8.217 -1.628 -1.156 1.00 1.00 H new ATOM 0 HD2 ARG A 148 -9.350 -2.917 0.394 1.00 1.00 H new ATOM 0 HD3 ARG A 148 -8.670 -4.229 -0.548 1.00 1.00 H new ATOM 0 HE ARG A 148 -6.764 -3.415 1.473 1.00 1.00 H new ATOM 0 HH11 ARG A 148 -9.835 -5.145 1.070 1.00 1.00 H new ATOM 0 HH12 ARG A 148 -9.603 -6.137 2.513 1.00 1.00 H new ATOM 0 HH21 ARG A 148 -6.471 -4.689 3.348 1.00 1.00 H new ATOM 0 HH22 ARG A 148 -7.694 -5.878 3.806 1.00 1.00 H new ATOM 233 N TYR A 149 -3.648 -4.015 -2.669 1.00 1.00 N ATOM 234 CA TYR A 149 -2.872 -4.594 -3.753 1.00 1.00 C ATOM 235 C TYR A 149 -1.487 -5.025 -3.266 1.00 1.00 C ATOM 236 O TYR A 149 -1.083 -6.169 -3.471 1.00 1.00 O ATOM 237 CB TYR A 149 -2.710 -3.484 -4.795 1.00 1.00 C ATOM 238 CG TYR A 149 -4.033 -2.874 -5.264 1.00 1.00 C ATOM 239 CD1 TYR A 149 -4.922 -3.634 -5.997 1.00 1.00 C ATOM 240 CD2 TYR A 149 -4.337 -1.565 -4.955 1.00 1.00 C ATOM 241 CE1 TYR A 149 -6.167 -3.061 -6.439 1.00 1.00 C ATOM 242 CE2 TYR A 149 -5.581 -0.991 -5.397 1.00 1.00 C ATOM 243 CZ TYR A 149 -6.435 -1.768 -6.117 1.00 1.00 C ATOM 244 OH TYR A 149 -7.610 -1.224 -6.534 1.00 1.00 O ATOM 0 H TYR A 149 -3.231 -3.189 -2.240 1.00 1.00 H new ATOM 0 HA TYR A 149 -3.372 -5.476 -4.155 1.00 1.00 H new ATOM 0 HB2 TYR A 149 -2.086 -2.695 -4.376 1.00 1.00 H new ATOM 0 HB3 TYR A 149 -2.180 -3.885 -5.659 1.00 1.00 H new ATOM 0 HD1 TYR A 149 -4.684 -4.659 -6.239 1.00 1.00 H new ATOM 0 HD2 TYR A 149 -3.642 -0.970 -4.381 1.00 1.00 H new ATOM 0 HE1 TYR A 149 -6.871 -3.645 -7.013 1.00 1.00 H new ATOM 0 HE2 TYR A 149 -5.831 0.033 -5.162 1.00 1.00 H new ATOM 0 HH TYR A 149 -7.666 -0.294 -6.230 1.00 1.00 H new ATOM 254 N TYR A 150 -0.799 -4.087 -2.632 1.00 1.00 N ATOM 255 CA TYR A 150 0.615 -4.261 -2.349 1.00 1.00 C ATOM 256 C TYR A 150 0.832 -4.769 -0.923 1.00 1.00 C ATOM 257 O TYR A 150 1.809 -4.406 -0.271 1.00 1.00 O ATOM 258 CB TYR A 150 1.245 -2.871 -2.483 1.00 1.00 C ATOM 259 CG TYR A 150 0.959 -2.186 -3.820 1.00 1.00 C ATOM 260 CD1 TYR A 150 0.720 -2.944 -4.948 1.00 1.00 C ATOM 261 CD2 TYR A 150 0.940 -0.808 -3.898 1.00 1.00 C ATOM 262 CE1 TYR A 150 0.451 -2.298 -6.206 1.00 1.00 C ATOM 263 CE2 TYR A 150 0.670 -0.162 -5.157 1.00 1.00 C ATOM 264 CZ TYR A 150 0.440 -0.938 -6.248 1.00 1.00 C ATOM 265 OH TYR A 150 0.186 -0.328 -7.437 1.00 1.00 O ATOM 0 H TYR A 150 -1.194 -3.205 -2.307 1.00 1.00 H new ATOM 0 HA TYR A 150 1.055 -4.989 -3.030 1.00 1.00 H new ATOM 0 HB2 TYR A 150 0.878 -2.237 -1.676 1.00 1.00 H new ATOM 0 HB3 TYR A 150 2.324 -2.958 -2.354 1.00 1.00 H new ATOM 0 HD1 TYR A 150 0.735 -4.022 -4.887 1.00 1.00 H new ATOM 0 HD2 TYR A 150 1.127 -0.214 -3.015 1.00 1.00 H new ATOM 0 HE1 TYR A 150 0.262 -2.880 -7.096 1.00 1.00 H new ATOM 0 HE2 TYR A 150 0.651 0.915 -5.232 1.00 1.00 H new ATOM 0 HH TYR A 150 0.209 0.644 -7.317 1.00 1.00 H new ATOM 275 N ARG A 151 -0.099 -5.602 -0.480 1.00 1.00 N ATOM 276 CA ARG A 151 -0.007 -6.187 0.848 1.00 1.00 C ATOM 277 C ARG A 151 0.937 -7.392 0.833 1.00 1.00 C ATOM 278 O ARG A 151 0.593 -8.461 1.334 1.00 1.00 O ATOM 279 CB ARG A 151 -1.382 -6.633 1.349 1.00 1.00 C ATOM 280 CG ARG A 151 -2.167 -7.340 0.241 1.00 1.00 C ATOM 281 CD ARG A 151 -3.524 -7.824 0.755 1.00 1.00 C ATOM 282 NE ARG A 151 -4.038 -6.892 1.784 1.00 1.00 N ATOM 283 CZ ARG A 151 -4.533 -7.279 2.967 1.00 1.00 C ATOM 284 NH1 ARG A 151 -5.069 -8.500 3.104 1.00 1.00 N ATOM 285 NH2 ARG A 151 -4.493 -6.445 4.016 1.00 1.00 N ATOM 0 H ARG A 151 -0.919 -5.885 -1.016 1.00 1.00 H new ATOM 0 HA ARG A 151 0.383 -5.423 1.521 1.00 1.00 H new ATOM 0 HB2 ARG A 151 -1.263 -7.304 2.200 1.00 1.00 H new ATOM 0 HB3 ARG A 151 -1.943 -5.767 1.701 1.00 1.00 H new ATOM 0 HG2 ARG A 151 -2.313 -6.659 -0.597 1.00 1.00 H new ATOM 0 HG3 ARG A 151 -1.592 -8.187 -0.133 1.00 1.00 H new ATOM 0 HD2 ARG A 151 -4.232 -7.892 -0.071 1.00 1.00 H new ATOM 0 HD3 ARG A 151 -3.427 -8.825 1.175 1.00 1.00 H new ATOM 0 HE ARG A 151 -4.014 -5.893 1.579 1.00 1.00 H new ATOM 0 HH11 ARG A 151 -5.100 -9.136 2.307 1.00 1.00 H new ATOM 0 HH12 ARG A 151 -5.446 -8.793 4.005 1.00 1.00 H new ATOM 0 HH21 ARG A 151 -4.086 -5.516 3.913 1.00 1.00 H new ATOM 0 HH22 ARG A 151 -4.870 -6.740 4.917 1.00 1.00 H new ATOM 299 N GLU A 152 2.109 -7.177 0.253 1.00 1.00 N ATOM 300 CA GLU A 152 3.125 -8.215 0.212 1.00 1.00 C ATOM 301 C GLU A 152 3.835 -8.317 1.564 1.00 1.00 C ATOM 302 O GLU A 152 5.019 -8.646 1.624 1.00 1.00 O ATOM 303 CB GLU A 152 4.127 -7.957 -0.915 1.00 1.00 C ATOM 304 CG GLU A 152 4.921 -6.674 -0.660 1.00 1.00 C ATOM 305 CD GLU A 152 4.858 -5.740 -1.870 1.00 1.00 C ATOM 306 OE1 GLU A 152 4.984 -6.261 -2.998 1.00 1.00 O ATOM 307 OE2 GLU A 152 4.684 -4.524 -1.638 1.00 1.00 O ATOM 0 H GLU A 152 2.377 -6.299 -0.192 1.00 1.00 H new ATOM 0 HA GLU A 152 2.636 -9.167 0.008 1.00 1.00 H new ATOM 0 HB2 GLU A 152 4.811 -8.802 -0.999 1.00 1.00 H new ATOM 0 HB3 GLU A 152 3.599 -7.879 -1.865 1.00 1.00 H new ATOM 0 HG2 GLU A 152 4.524 -6.165 0.218 1.00 1.00 H new ATOM 0 HG3 GLU A 152 5.960 -6.922 -0.442 1.00 1.00 H new ATOM 314 N ASN A 153 3.081 -8.029 2.615 1.00 1.00 N ATOM 315 CA ASN A 153 3.628 -8.068 3.961 1.00 1.00 C ATOM 316 C ASN A 153 2.508 -7.800 4.968 1.00 1.00 C ATOM 317 O ASN A 153 2.774 -7.469 6.123 1.00 1.00 O ATOM 318 CB ASN A 153 4.701 -6.995 4.150 1.00 1.00 C ATOM 319 CG ASN A 153 4.099 -5.592 4.049 1.00 1.00 C ATOM 320 OD1 ASN A 153 3.735 -5.120 2.985 1.00 1.00 O ATOM 321 ND2 ASN A 153 4.016 -4.955 5.213 1.00 1.00 N ATOM 0 H ASN A 153 2.096 -7.768 2.562 1.00 1.00 H new ATOM 0 HA ASN A 153 4.071 -9.052 4.118 1.00 1.00 H new ATOM 0 HB2 ASN A 153 5.178 -7.120 5.122 1.00 1.00 H new ATOM 0 HB3 ASN A 153 5.478 -7.116 3.395 1.00 1.00 H new ATOM 0 HD21 ASN A 153 3.629 -4.012 5.252 1.00 1.00 H new ATOM 0 HD22 ASN A 153 4.340 -5.409 6.067 1.00 1.00 H new ATOM 328 N MET A 154 1.280 -7.952 4.495 1.00 1.00 N ATOM 329 CA MET A 154 0.121 -7.587 5.291 1.00 1.00 C ATOM 330 C MET A 154 -1.041 -8.551 5.042 1.00 1.00 C ATOM 331 O MET A 154 -0.953 -9.427 4.182 1.00 1.00 O ATOM 332 CB MET A 154 -0.313 -6.163 4.940 1.00 1.00 C ATOM 333 CG MET A 154 0.793 -5.157 5.264 1.00 1.00 C ATOM 334 SD MET A 154 0.135 -3.498 5.243 1.00 1.00 S ATOM 335 CE MET A 154 -0.050 -3.260 3.484 1.00 1.00 C ATOM 0 H MET A 154 1.062 -8.323 3.570 1.00 1.00 H new ATOM 0 HA MET A 154 0.396 -7.643 6.344 1.00 1.00 H new ATOM 0 HB2 MET A 154 -0.562 -6.106 3.880 1.00 1.00 H new ATOM 0 HB3 MET A 154 -1.216 -5.907 5.494 1.00 1.00 H new ATOM 0 HG2 MET A 154 1.219 -5.376 6.243 1.00 1.00 H new ATOM 0 HG3 MET A 154 1.601 -5.246 4.538 1.00 1.00 H new ATOM 0 HE1 MET A 154 -0.386 -2.242 3.288 1.00 1.00 H new ATOM 0 HE2 MET A 154 0.908 -3.427 2.991 1.00 1.00 H new ATOM 0 HE3 MET A 154 -0.785 -3.966 3.097 1.00 1.00 H new ATOM 345 N TYR A 155 -2.104 -8.359 5.809 1.00 1.00 N ATOM 346 CA TYR A 155 -3.124 -9.384 5.948 1.00 1.00 C ATOM 347 C TYR A 155 -4.519 -8.763 6.032 1.00 1.00 C ATOM 348 O TYR A 155 -5.473 -9.453 5.610 1.00 1.00 O ATOM 349 CB TYR A 155 -2.820 -10.106 7.263 1.00 1.00 C ATOM 350 CG TYR A 155 -1.371 -10.579 7.393 1.00 1.00 C ATOM 351 CD1 TYR A 155 -0.930 -11.661 6.658 1.00 1.00 C ATOM 352 CD2 TYR A 155 -0.504 -9.924 8.245 1.00 1.00 C ATOM 353 CE1 TYR A 155 0.434 -12.107 6.781 1.00 1.00 C ATOM 354 CE2 TYR A 155 0.860 -10.370 8.366 1.00 1.00 C ATOM 355 CZ TYR A 155 1.261 -11.440 7.629 1.00 1.00 C ATOM 356 OH TYR A 155 2.550 -11.861 7.744 1.00 1.00 O ATOM 357 OXT TYR A 155 -4.601 -7.613 6.514 1.00 1.00 O ATOM 0 H TYR A 155 -2.281 -7.507 6.341 1.00 1.00 H new ATOM 0 HA TYR A 155 -3.112 -10.055 5.089 1.00 1.00 H new ATOM 0 HB2 TYR A 155 -3.049 -9.438 8.094 1.00 1.00 H new ATOM 0 HB3 TYR A 155 -3.482 -10.967 7.354 1.00 1.00 H new ATOM 0 HD1 TYR A 155 -1.608 -12.173 5.991 1.00 1.00 H new ATOM 0 HD2 TYR A 155 -0.849 -9.078 8.820 1.00 1.00 H new ATOM 0 HE1 TYR A 155 0.792 -12.952 6.212 1.00 1.00 H new ATOM 0 HE2 TYR A 155 1.549 -9.866 9.027 1.00 1.00 H new ATOM 0 HH TYR A 155 3.025 -11.291 8.384 1.00 1.00 H new TER 367 TYR A 155